Alstophylline
AlkaPlorer ID: AK002534
Synonym: ''
IUPAC Name: 1-[(1S,12S,13R,18R)-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-17-yl]ethanone
Structure
SMILES: COC1=CC=C2C3=C([C@@H]4C[C@H]5C(C(C)=O)=COC[C@H]5[C@H](C3)N4C)N(C)C2=C1
InChI: InChI=1S/C22H26N2O3/c1-12(25)17-10-27-11-18-15(17)8-21-22-16(9-20(18)23(21)2)14-6-5-13(26-4)7-19(14)24(22)3/h5-7,10,15,18,20-21H,8-9,11H2,1-4H3/t15-,18+,20-,21-/m0/s1
InChIKey: XFPCHWBAIJUKFN-MTOHEIAKSA-N
Reference
Alkaloids from Alstonia angustifolia
PubChem CID: 10451543
LOTUS: LTS0243395
SuperNatural Ⅲ: SN0428839-03
NPASS: NPC74516
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia macrophylla | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 366.46100000000007
TPSA？: 43.7
MolLogP？: 3.223700000000002
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|